Benzyl thiocyanate
AlkaPlorer ID: AK081901
Synonym: Phenylmethyl thiocyanate, Benzyl rhodanide
IUPAC Name: benzyl thiocyanate
Structure
SMILES: N#CSCC1=CC=CC=C1
InChI: InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey: ABNDFSOIUFLJAH-UHFFFAOYSA-N
Reference
Composition of the essential oil of Lepidium meyenii (Walp.)
PubChem CID: 18170
CAS: 3012-37-1
LOTUS: LTS0174692
SuperNatural Ⅲ: SN0001171
NPASS: NPC52330
COCONUT: CNP0192930
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 149.218
TPSA？: 23.79
MolLogP？: 2.40088
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Macrophage migration inhibitory factor | IC50 | 100000.0 | nM | 10.1016/j.ejmech.2015.02.012 |
| Homo sapiens | Macrophage migration inhibitory factor | IC50 | nan | None | 10.1016/j.ejmech.2015.02.012 |
| Meloidogyne javanica | Meloidogyne javanica | LC50 | 4.64 | ug.mL-1 | 10.1016/j.cropro.2010.09.004 |
| Meloidogyne javanica | Meloidogyne javanica | LC90 | 8.71 | ug ml-1 | 10.1016/j.cropro.2010.09.004 |
| Meloidogyne javanica | Meloidogyne javanica | mortality | 30.14 | % | 10.1016/j.cropro.2010.09.004 |
| Meloidogyne javanica | Meloidogyne javanica | mortality | 66.36 | % | 10.1016/j.cropro.2010.09.004 |